SCHEMBL17954335

SCHEMBL17954335

CCCCCNCC(=O)Cc1cnc2ccccc2c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
S1PR2 O95136 1/20 0.39
ACP1 P24666 1/20 0.39
TACR1 P25103 1/20 0.38
GBA1 P04062 1/20 0.38
PADI4 Q9UM07 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16627089 0.84 MTNR1A (0.45) ALDH1A1HTTSMN1; SMN2NPSR1MAPT
SCHEMBL16627109 0.81 CYP1A2 (0.47) ALDH1A1HTTSMN1; SMN2NPSR1MAPT
SCHEMBL16624627 0.76 SMN1; SMN2 (0.55) ALDH1A1HTTSMN1; SMN2NPSR1MAPT
SCHEMBL2722407 0.75 SMN1; SMN2 (0.50) ALDH1A1HTTSMN1; SMN2NPSR1MAPT
SCHEMBL21610292 0.74 ALDH1A1 (0.49) ALDH1A1HTTSMN1; SMN2NPSR1MAPT
SCHEMBL17954340 0.72 NR1H2 (0.49) ALDH1A1MAPTLMNA
SCHEMBL17954339 0.71 MTNR1A (0.49) ALDH1A1SMN1; SMN2NPSR1MAPTHPGD
SCHEMBL2720224 0.69 PADI4 (0.44) ALDH1A1HTTSMN1; SMN2NPSR1MAPT
SCHEMBL16624723 0.68 ALDH1A1 (0.41) ALDH1A1HTTSMN1; SMN2NPSR1MAPT
SCHEMBL9658914 0.68 GAA (0.46) ALDH1A1HTTMAPTHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988627-B2 Formats for organic compounds for use in RNA interference NOVARTIS AG (CH) 2018-06-05 US disclosed
US-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-10-20 US disclosed
US-20160244756-A1 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-08-25 US disclosed
US-20160215288-A1 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-07-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE RNGTT, NSUN2, NSUN3 ALDH1A1 4256/4885HTT 2540/4885SMN1; SMN2 2042/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.